2-[2-[(4-methoxyphenyl)-methylsulfonyl-amino]propanoylamino]-N-phenethyl-benzamide

Systemtic Name: 2-[2-[(4-methoxyphenyl)-methylsulfonyl-amino]propanoylamino]-N-phenethyl-benzamide Openeye Name: 2-[2-(4-methoxy-N-methylsulfonyl-anilino)propanoylamino]-N-phenethyl-benzamide CAS Name: 2-[[2-(4-methoxy-N-methylsulfonylanilino)-1-oxopropyl]amino]-N-phenethylbenzamide IUPAC Name: 2-[2-(4-methoxy-N-methylsulfonylanilino)propanoylamino]-N-phenethylbenzamide Traditional Name: 2-[2-(N-mesyl-4-methoxy-anilino)propanoylamino]-N-phenethyl-benzamide Formula: C26H29N3O5S MolecularWeight: 495.59056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)NCCC2=CC=CC=C2)N(C3=CC=C(C=C3)OC)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C(=O)NCCC2=CC=CC=C2)N(C3=CC=C(C=C3)OC)S(=O)(=O)C

InChI

InChI=1S/C26H29N3O5S/c1-19(29(35(3,32)33)21-13-15-22(34-2)16-14-21)25(30)28-24-12-8-7-11-23(24)26(31)27-18-17-20-9-5-4-6-10-20/h4-16,19H,17-18H2,1-3H3,(H,27,31)(H,28,30)